1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole

C16H15N3O3S — CID 142733865

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12-4-3-5-13(10-12)16-11-19(18-17-16)23(20,21)15-8-6-14(22-2)7-9-15/h3-11H,1-2H3
InChIKeyHNTARVYHVXBTSQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.50
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole

1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole (PubChem CID 142733865) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole
PubChem CID142733865
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12-4-3-5-13(10-12)16-11-19(18-17-16)23(20,21)15-8-6-14(22-2)7-9-15/h3-11H,1-2H3
InChIKeyHNTARVYHVXBTSQ-UHFFFAOYSA-N
XLogP2.50
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 142734107
4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
CID 142733860
4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 71623276
4-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 171851935
1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
CID 51350838
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
1-(4-methoxyphenyl)sulfonyl-4-(4-pentylphenyl)triazole;1-naphthalen-2-ylsulfonyl-4-(2-phenylethyl)triazole
CID 165014400
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
CID 118912795
4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 160977428
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 20867089
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole (CID 142733865) is 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole is COc1ccc(S(=O)(=O)n2cc(-c3cccc(C)c3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole?
The InChIKey is HNTARVYHVXBTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12-4-3-5-13(10-12)16-11-19(18-17-16)23(20,21)15-8-6-14(22-2)7-9-15/h3-11H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole?
1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole has a molecular weight of 329.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole is sourced from PubChem (CID 142733865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).